2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol

C13H21NO3 — CID 117351397

IUPAC2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol
SMILESCOc1cc(C(O)CN)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C13H21NO3/c1-13(2,3)10-6-8(17-4)5-9(12(10)16)11(15)7-14/h5-6,11,15-16H,7,14H2,1-4H3
InChIKeyYSOSMVCVKIIUMI-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.69
Rot. Bonds3

About 2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol

2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol (PubChem CID 117351397) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol.

Molecular Properties

Compound Name2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol
PubChem CID117351397
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol
SMILESCOc1cc(C(O)CN)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C13H21NO3/c1-13(2,3)10-6-8(17-4)5-9(12(10)16)11(15)7-14/h5-6,11,15-16H,7,14H2,1-4H3
InChIKeyYSOSMVCVKIIUMI-UHFFFAOYSA-N
XLogP1.69
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-ditert-butyl-4-methoxyphenol
CID 10269
4-amino-4-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)butanoic acid
CID 117451567
3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
CID 117418125
3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117472174
2-amino-1-(2,6-ditert-butyl-4-hydroperoxyphenyl)ethanol
CID 173325621
2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386585
1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 117345137
2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol
CID 166011841
2-tert-butyl-4-methoxy-6-[(methoxyamino)methyl]phenol
CID 117351450
2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol
CID 84807568
2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol
CID 117347697
1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 64812535

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol?
The IUPAC name of 2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol (CID 117351397) is 2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol.
What is the SMILES notation for 2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol?
The canonical SMILES for 2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol is COc1cc(C(O)CN)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol?
The InChIKey is YSOSMVCVKIIUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2,3)10-6-8(17-4)5-9(12(10)16)11(15)7-14/h5-6,11,15-16H,7,14H2,1-4H3.
What are the key properties of 2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol?
2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol has a molecular weight of 239.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol is sourced from PubChem (CID 117351397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).